1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperidin-4-ylmethyl)-1,4-diazepin-5-one hydrochloride

Systemtic Name: 1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperidin-4-ylmethyl)-1,4-diazepin-5-one hydrochloride Openeye Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-4-(4-piperidylmethyl)-1,4-diazepin-5-one hydrochloride CAS Name: 1-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(4-piperidinylmethyl)-1,4-diazepin-5-one hydrochloride IUPAC Name: 1-(6-chloronaphthalen-2-yl)sulfonyl-4-(piperidin-4-ylmethyl)-1,4-diazepin-5-one hydrochloride Traditional Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-4-(4-piperidylmethyl)-1,4-diazepin-5-one hydrochloride Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C=CN(C=CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

Isomeric SMILES

C1CNCCC1CN2C=CN(C=CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

InChI

InChI=1S/C21H22ClN3O3S.ClH/c22-19-3-1-18-14-20(4-2-17(18)13-19)29(27,28)25-10-7-21(26)24(11-12-25)15-16-5-8-23-9-6-16;/h1-4,7,10-14,16,23H,5-6,8-9,15H2;1H